1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one

C18H26O3 — CID 116750532

IUPAC1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)C2(OC)CCCCCC2)cc1
InChIInChI=1S/C18H26O3/c1-20-16-10-7-15(8-11-16)9-12-17(19)18(21-2)13-5-3-4-6-14-18/h7-8,10-11H,3-6,9,12-14H2,1-2H3
InChIKeyGVSMORTYHWCQLB-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.94
Rot. Bonds6

About 1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one

1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 116750532) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID116750532
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)C2(OC)CCCCCC2)cc1
InChIInChI=1S/C18H26O3/c1-20-16-10-7-15(8-11-16)9-12-17(19)18(21-2)13-5-3-4-6-14-18/h7-8,10-11H,3-6,9,12-14H2,1-2H3
InChIKeyGVSMORTYHWCQLB-UHFFFAOYSA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one
CID 116747836
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]propan-1-one
CID 116572753
1-(1-adamantyl)-3-(4-methoxyphenyl)propan-1-one
CID 135008863
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-one
CID 116750377
1-(1-methoxycyclohexyl)butan-1-one
CID 83225702
4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one
CID 175624842
2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750408
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69475295
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 115363823
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one (CID 116750532) is 1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)C2(OC)CCCCCC2)cc1.
What is the InChIKey of 1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is GVSMORTYHWCQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-20-16-10-7-15(8-11-16)9-12-17(19)18(21-2)13-5-3-4-6-14-18/h7-8,10-11H,3-6,9,12-14H2,1-2H3.
What are the key properties of 1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one?
1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 290.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 116750532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).